Catalog Number
ACM327979-1
Product Name
Chlorogenic Acid
Description
Chlorogenic acid is a major phenolic compound in Lonicera japonica Thunb.. It plays several important and therapeutic roles such as antioxidant activity, antibacterial, hepatoprotective, cardioprotective, anti-inflammatory, antipyretic, neuroprotective, anti-obesity, antiviral, anti-microbial, anti-hypertension.
IUPAC Name
(1S,3R,4R,5R)-3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
Molecular Formula
C16H18O9
Canonical SMILES
C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
InChI Key
CWVRJTMFETXNAD-JUHZACGLSA-N
Melting Point
210 °C(lit.)
Solubility
Soluble in ethanol, acetone
Isomeric SMILES
C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
Monoisotopic Mass
354.09508215
Refractive Index
-37 ° (C=1, H₂O)
Shipping
Can be shipped at room temperature, where not in use may vary.
Source
PlantsCaprifoliaceaeLonicera japonica Thunb.
Stability
Stable under normal temperatures and pressures.
Topological Polar Surface Area
165 Ų